N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide

C13H20N2O5 — CID 103876816

IUPACN-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCOCC(O)CCNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C13H20N2O5/c1-19-9-10(16)4-6-14-12(17)5-7-15-13(18)11-3-2-8-20-11/h2-3,8,10,16H,4-7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeyFJGXFHOFVHRBND-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.09
Rot. Bonds9

About N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 103876816) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID103876816
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCOCC(O)CCNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C13H20N2O5/c1-19-9-10(16)4-6-14-12(17)5-7-15-13(18)11-3-2-8-20-11/h2-3,8,10,16H,4-7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeyFJGXFHOFVHRBND-UHFFFAOYSA-N
XLogP-0.09
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479824
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
CID 95740792
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
3-(4-aminophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 106242200

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide (CID 103876816) is N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide is COCC(O)CCNC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is FJGXFHOFVHRBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-9-10(16)4-6-14-12(17)5-7-15-13(18)11-3-2-8-20-11/h2-3,8,10,16H,4-7,9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of -0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 103876816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).